def dAngleType (count, directory_in): listClasse = structure.classificationATOM("", out_list = 1) for type_substruct in count.keys() : for distance in count[type_substruct].keys() : pr_angle_type = pathManage.resultAngle(directory_in, type_substruct) filout = open(pr_angle_type + "angle_" + type_substruct + "_" + distance, "w") ### HEADER ### filout.write (str(listClasse[0])) for classe in listClasse[1:] : filout.write ("\t" + classe) filout.write("\n") ############## for angleSubs in count[type_substruct][distance].keys() : filout.write(str(angleSubs)) for classe in listClasse : try : filout.write("\t" + str(count[type_substruct][distance][angleSubs][classe])) except : filout.write("\t0") filout.write("\n") filout.close()
def resultAngle(d_count, pr_out): l_p_file = [] for subs in d_count.keys(): pr_final = pathManage.resultAngle(pr_out, subs) p_filout = pr_final + "angle_" + str(subs) l_p_file.append (p_filout) filout = open(p_filout, "w") for type_atom in d_count[subs].keys(): nb_dist = len(d_count[subs][type_atom]["distance"]) for i in range(0, nb_dist) : dist = d_count[subs][type_atom]["distance"][i] #filout.write("%.2f" % dist) for angle in d_count[subs][type_atom]["angles"][i] : if angle == "NA" : continue else : angle = "%.2f" % angle filout.write (str (dist) + "\t" + str (angle) + "\t" + str (type_atom) + "\n") filout.close() return l_p_file